4-Fluoropiperidine → 4-[3-(4-Fluoro-piperidin-1-yl)-propyl]-1-(3-trifluoromethyl-phenyl)-[1,4]diazepan-5-one

반응식

[F:23][CH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH:11]=[O:12]>>[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[CH2:6][CH2:7][N:8]1[CH2:9][CH2:10][CH2:11][N:27]1[CH2:26][CH2:25][CH:24]([F:23])[CH2:29][CH2:28]1

참가 물질

반응물 2

HCID 27591594-Fluoropiperidine

HCID 866383883-[7-Oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-propionaldehyde

생성물 1

HCID 591592954-[3-(4-Fluoro-piperidin-1-yl)-propyl]-1-(3-trifluoromethyl-phenyl)-[1,4]diazepan-5-one

출처 및 근거

ORD 기록: ord-8e5bac6dc8284092b23b47c26ea1c96c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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